Exact Mass: 266.1743
Exact Mass Matches: 266.1743
Found 500 metabolites which its exact mass value is equals to given mass value 266.1743,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Desipramine
Desipramine hydrochloride is a dibenzazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, desipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, desipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Secondary amine TCAs, such as desipramine and nortriptyline, are more potent inhibitors of norepinephrine reuptake than tertiary amine TCAs, such as amitriptyline and doxepine. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Desipramine exerts less anticholinergic and sedative side effects compared to tertiary amine TCAs, such as amitriptyline and clomipramine. Desipramine may be used to treat depression, neuropathic pain (unlabeled use), agitation and insomnia (unlabeled use) and attention-deficit hyperactivity disorder (unlabeled use). N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors
Cyclizine
Cyclizine is only found in individuals that have used or taken this drug. It is a histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935)Vomiting (emesis) is essentially a protective mechanism for removing irritant or otherwise harmful substances from the upper GI tract. Emesis or vomiting is controlled by the vomiting centre in the medulla region of the brain, an important part of which is the chemotrigger zone (CTZ). The vomiting centre possesses neurons which are rich in muscarinic cholinergic and histamine containing synapses. These types of neurons are especially involved in transmission from the vestibular apparatus to the vomiting centre. Motion sickness principally involves overstimulation of these pathways due to various sensory stimuli. Hence the action of cyclizine which acts to block the histamine receptors in the vomiting centre and thus reduce activity along these pathways. Furthermore since cyclizine possesses anti-cholinergic properties as well, the muscarinic receptors are similarly blocked. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives CONFIDENCE standard compound; INTERNAL_ID 1; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
TRIBUTYL PHOSPHATE
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid
Juvenile hormone III
Juvenile hormone III is a member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid. Juvenile hormone III is found in most insect species. It is an epoxide, an enoate ester, a fatty acid methyl ester and a juvenile hormone.
Practolol
Practolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist that has been used in the emergency treatment of cardiac arrhythmias. [PubChem]Like other beta-adrenergic antagonists, practolol competes with adrenergic neurotransmitters such as catecholamines for binding at sympathetic receptor sites. Like propranolol and timolol, practolol binds at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting the effects of the catecholamines epinephrine and norepinephrine and decreasing heart rate, cardiac output, and systolic and diastolic blood pressure. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Same as: D05587 Practolol is a potent and selective β1-adrenergic receptor antagonist. Practolol can be used for the research of cardiac arrhythmias[1][2][3].
Xanthoxic acid
Xanthoxic acid, known scientifically as 3,4,5-trimethoxybenzoic acid, is an organic compound belonging to the class of aromatic acids. It is characterized by a benzene ring with hydroxyl groups (OH) substituted at the 3, 4, and 5 positions with methoxy groups (OCH₃). This chemical structure imparts specific chemical and biological properties to xanthoxic acid. Chemically, xanthoxic acid is a white to yellowish crystalline solid, which is soluble in organic solvents but less soluble in water. Its chemical formula is C10H12O5, and it has a molecular weight of approximately 212.21 g/mol. Biologically, xanthoxic acid exhibits a range of pharmacological activities. It has been noted for its anti-inflammatory, antibacterial, and antifungal properties. These activities are attributed to its ability to interfere with various cellular processes, including inflammation and microbial growth. In traditional medicine, particularly in Chinese medicine, plants containing xanthoxic acid are used to treat conditions such as gastrointestinal disorders, skin infections, and as a general health tonic. In terms of its natural occurrence, xanthoxic acid is found in several plants, notably in the roots, stems, and leaves of certain species. It is particularly abundant in plants like Phellodendron amurense (Amur cork tree) and Coptis chinensis (Chinese goldthread), which are used in traditional Chinese medicine. From a pharmacological perspective, xanthoxic acid and its derivatives are of interest for their potential in drug development. Researchers are exploring its anti-inflammatory and potential anticancer properties, aiming to develop new therapeutic agents that can effectively treat these conditions with fewer side effects. In summary, xanthoxic acid is a multifaceted compound with diverse biological activities and potential medicinal applications. Its presence in traditional medicinal plants and its pharmacological properties make it a subject of interest in both traditional and modern medicine.
6alpha,8beta-Dihydroxygermacra-1(10),4,11(13)-trien-12-oate
atenolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; INTERNAL_ID 4076 CONFIDENCE Reference Standard (Level 1) CONFIDENCE standard compound; INTERNAL_ID 1106 Atenolol ((RS)-Atenolol) is a cardioselective β1-adrenergic receptor blocker, with a Ki of 697 nM at β1-adrenoceptor in guine pig left ventricle membrane. Atenolol can be used for the research of hypertension and angina pectoris[1][2].
Atenolol
Atenolol is a so-called beta1-selective (or cardioselective) drug. That means that it exerts greater blocking activity on myocardial beta1-receptors than on beta2 ones in the lung. The beta2 receptors are responsible to keep the bronchial system open. If these receptors are blocked, bronchospasm with serious lack of oxygen in the body can result. However, due to its cardioselective properties, the risk of bronchospastic reactions if using atenolol is reduced compared to nonselective drugs as propranolol. Nonetheless, this reaction may also be encountered with atenolol, particularly with high doses. Extreme caution should be exerted if atenolol is given to asthma patients, who are particularly at risk; the dose should be as low as possible. If an asthma attack occurs, the inhalation of a beta2-mimetic antiasthmatic, such as hexoprenalin or salbutamol, will usually suppress the symptoms.; Atenolol (trade name Tenormin) can be used to treat cardiovascular diseases such as hypertension, coronary heart disease, arrhythmias, and treatment of myocardial infarction after the acute event. Patients with compensated congestive heart failure may be treated with atenolol as a co medication (usually together with an ACE inhibitor, a diuretic and a digitalis-glycoside, if indicated). In patients with congestive heart failure, it reduces the need for and the consumption of oxygen of the heart muscle. It is very important to start with low doses, as atenolol reduces also the muscular power of the heart, which is an undesired effect in congestive heart failure. [HMDB] Atenolol is a so-called beta1-selective (or cardioselective) drug. That means that it exerts greater blocking activity on myocardial beta1-receptors than on beta2 ones in the lung. The beta2 receptors are responsible to keep the bronchial system open. If these receptors are blocked, bronchospasm with serious lack of oxygen in the body can result. However, due to its cardioselective properties, the risk of bronchospastic reactions if using atenolol is reduced compared to nonselective drugs as propranolol. Nonetheless, this reaction may also be encountered with atenolol, particularly with high doses. Extreme caution should be exerted if atenolol is given to asthma patients, who are particularly at risk; the dose should be as low as possible. If an asthma attack occurs, the inhalation of a beta2-mimetic antiasthmatic, such as hexoprenalin or salbutamol, will usually suppress the symptoms. Atenolol (trade name Tenormin) can be used to treat cardiovascular diseases such as hypertension, coronary heart disease, arrhythmias, and treatment of myocardial infarction after the acute event. Patients with compensated congestive heart failure may be treated with atenolol as a co medication (usually together with an ACE inhibitor, a diuretic and a digitalis-glycoside, if indicated). In patients with congestive heart failure, it reduces the need for and the consumption of oxygen of the heart muscle. It is very important to start with low doses, as atenolol reduces also the muscular power of the heart, which is an undesired effect in congestive heart failure. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Atenolol ((RS)-Atenolol) is a cardioselective β1-adrenergic receptor blocker, with a Ki of 697 nM at β1-adrenoceptor in guine pig left ventricle membrane. Atenolol can be used for the research of hypertension and angina pectoris[1][2].
Tetranor 12-HETE
12(S)-HETE is a product of arachidonic acid metabolism through the 12-lipoxygenase pathway. It is primarily found in platelets, leukocytes, and to a lesser extent in smooth muscle cells. It enhances tumor cell adhesion to endothelial cells, fibronectin, and the subendothelial matrix. tetranor-12(S)-HETE is the major β-oxidation product resulting from peroxisomal metabolism of 12(S)-HETE in numerous tissues, and Lewis lung carcinoma cells. No biological function has yet been determined for tetranor-12(S)-HETE. Some data indicate it may play a role in controlling the inflammatory response in injured corneas.4 In some diseases (e.g., Zellweger’s Syndrome) peroxisomal abnormalities result in the inability of cells to metabolize 12(S)-HETE, which may be responsible for symptoms of the disease. The tetranor derivative of 12(S)-HETE is available as a research tool for the elucidation of the metabolic fate of its parent compound. (http://www.caymanchem.com)
Artemin
Artemin is found in herbs and spices. Artemin is a constituent of Artemisia species Constituent of Artemisia subspecies Artemin is found in herbs and spices.
Blennin D
Blennin D is found in mushrooms. Blennin D is a constituent of Lactarius blennius (slimy milk cap) Constituent of Lactarius blennius (slimy milk cap). Blennin D is found in mushrooms.
Arlatin
Constituent of Artemisia absinthium (wormwood). Arlatin is found in alcoholic beverages and herbs and spices. Arlatin is found in alcoholic beverages. Arlatin is a constituent of Artemisia absinthium (wormwood)
14,19-Didehydrocondyfolan
14,19-Didehydrocondyfolan is an alkaloid from Aspidosperma quebracho-blanco (quebracho
(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol
(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol is found in beverages. (3xi,6E)-1,7-Diphenyl-6-hepten-3-ol is a constituent of seeds of Curcuma xanthorrhiza (Java turmeric)
4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one
4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one is found in herbs and spices. 4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one is a constituent of Curcuma xanthorrhiza (Java turmeric). Constituent of Curcuma xanthorrhiza (Java turmeric). 4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one is found in herbs and spices.
3,4-Dimethyl-5-pentyl-2-furanpentanoic acid
3,4-Dimethyl-5-pentyl-2-furanpentanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-pentyl-2-furanpentanoic acid, in particular, can be described by the shorthand notation 5D5. This refers to its 5-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
5-Hexyl-2-furanhexanoic acid
5-Hexyl-2-furanhexanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Hexyl-2-furanhexanoic acid, in particular, can be described by the shorthand notation 6F6. This refers to its 6-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 6-carbon alkyl moiety. It has been identified in carp.
3,4-Dimethyl-5-propyl-2-furanheptanoic acid
3,4-Dimethyl-5-propyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-propyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7D3. This refers to its 7-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 3-carbon alkyl moiety.
5-Pentyl-2-furanheptanoic acid
5-Pentyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Pentyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7F5. This refers to its 7-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 5-carbon alkyl moiety. It has been identified in carp.
5-Butyl-2-furanoctanoic acid
5-Butyl-2-furanoctanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Butyl-2-furanoctanoic acid, in particular, can be described by the shorthand notation 8F4. This refers to its 8-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 4-carbon alkyl moiety. It has been identified in carp.
Bucolome
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
CC(=O)Nccccccn1C=CC(=O)C(O)=C1C
Dilatan
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C - Cardiovascular system > C01 - Cardiac therapy Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-Hydroxy-4-methoxybisabola-2,10-dien-9-one
5-hydroxy-4-methoxybisabola-2,10-dien-9-one is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 5-hydroxy-4-methoxybisabola-2,10-dien-9-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxy-4-methoxybisabola-2,10-dien-9-one can be found in turmeric, which makes 5-hydroxy-4-methoxybisabola-2,10-dien-9-one a potential biomarker for the consumption of this food product.
atenolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 169 Atenolol ((RS)-Atenolol) is a cardioselective β1-adrenergic receptor blocker, with a Ki of 697 nM at β1-adrenoceptor in guine pig left ventricle membrane. Atenolol can be used for the research of hypertension and angina pectoris[1][2].
(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
14,19-Didehydrocondyfolan
Lauryl sulfate
D013501 - Surface-Active Agents Annotation level-3 CONFIDENCE standard compound; INTERNAL_ID 2407 CONFIDENCE standard compound; INTERNAL_ID 4066 CONFIDENCE standard compound; INTERNAL_ID 8761
TRIISOBUTYL PHOSPHATE
CONFIDENCE standard compound; INTERNAL_ID 2468 CONFIDENCE standard compound; INTERNAL_ID 8808 CONFIDENCE standard compound; INTERNAL_ID 8248 CONFIDENCE standard compound; INTERNAL_ID 4188
TRIMETAZIDINE
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C - Cardiovascular system > C01 - Cardiac therapy Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(-)-tubifoline|17-nor-cur-1-ene|Tubifolin|Tubifoline
(10R)-hydroxyhexadeca-7Z,11E,13Z-trienoic acid|(7Z, 10R, 11E, 13Z)-form-10-Hydroxy-7, 11, 13-hexadecatrienoic acid
Me ester -(6xi,7xi)-7-Hydroxy-2,10-bisaboladien-15-oic acid
(6Z,10E,12Z)-9(S)-hydroxyhexadeca-6,10,12-trienoic acid
(1S,9S)-3beta,6beta-dihydroxy-2alpha,5alpha-epoxy-4alpha,11,11,8beta-tetramethyltricyclo[5.4.0.02,5]undecan-7-one|fascicularone D
4alpha,6alpha-Dihydroxyeudesm-11(13)-en-12,8beta-olide
1beta,3alpha-dihydroxyeudesma-5,11(13)-dien-12-oic acid
2beta,11alpha-dihydroxy-eudesm-5-en-8beta,12-olide
11beta(H),13-dihydrosalonitenolide|11beta,13-dihydrosalonitenolide
(2R,7S)-7-formyloxy-2-hydroxy-12-nornardosin-1(10)-en-11-one
8alpha-hydroxy-4alpha,5beta-epoxy-11betaH-germacr-1(10)E-en-12,6-alpha-olide|desacetyllanuginolide
(3alpha,11?)-3,11-Dihydroxy-7,9-eremophiladien-8-one|6-Dehydro-11,12-dihydroxypetasol
Britannilactone
Britannilactone is a terpene lactone. (3AS,4S,7AR)-4-Hydroxy-5-[(2S)-5-hydroxypentan-2-YL]-6-methyl-3-methylidene-3A,4,7,7A-tetrahydro-1-benzofuran-2-one is a natural product found in Inula japonica with data available.
1alpha-Hydroxy-11,13-dihydrocostussaeure-methylester
1alpha,8alpha-dihydroxygermacra-4E,9Z-dien-6beta,7alpha,11betaH-12,6-olide
(-)-(3aS,6R,6aR,8aR,9S,9aS)-decahydro-6,9-dihydroxy-6,8a-dimethyl-3-methylenecyclobuta[6,7]cycloocta[1,2-b]furan-2(3H)-one|michampanolide
10alpha-hydroxy-4H-tomentosin|4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide
(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6-dienoic acid methyl ester|methyl (2E,6E)-10-oxo-3,7,11-trimethyldodeca-2,6-dienoate
5-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbutanoyl)cyclohex-4-ene-1,3-dione
1,10beta-dihydroxy-4alphaH-1,10-secoeudesma-5(6),11(13)-dien-12,8beta-olide
methyl 10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trienoate
(3S,3aS,6S,8S,9R,9aS,9bR)-3a,4,5,6,7,8,9,9a,9b-octahydro-8,9-dihydroxy-3,6,9a-trimethylazuleno[4.5-b]furan-2(3H)-one|3beta,4beta,6beta-trihydroxy-10alphaH-11alpha-methyl-ambrosa-1-en-12-oic acid gamma-lactone|hysterone E
3-(3-hydroxybutyl)-1,1-dimethylisochroman-6,8-diol
10betaH,11betaH-7alpha,8alpha-epoxy-6beta-hydroxyeremophilan-12,8beta-olide|eremopetasitenin A4
methyl-3alpha,5alpha,8alpha,10alphaH-asteriscan-15-oate
(Z)-1beta,4alpha-dihydroxy-5alpha,8beta(H)-eudesm-7(11)-en-12,8-olide
(2E,4E,8E)-ethyl-13-hydroxytetradeca-2,4,8-trienoate
(Z)-2-(3-hydroxypent-1-ynyl)-3-(non-1-enyl)oxiran-2-ol|angelicol B
(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-pent-2-enoic acid methyl ester
methyl (2Z,6R,8S)-4,6-diethyl-3,6-epoxy-8-methyldeca-2,4-dienoate
cazolobine|methyl 7-(5,5-dimethyltetrahydrofuran-2-yl)-3-methylocta-2,6-dieneoate
3,8,8-Trimethyl-4,5,8,9,10,11-hexahydrophenanthro[10,1-bc]pyran
(11S)-10alpha-hydroxy-3-oxo-4betaH-guaiano-12,6alpha-lactone|(3S,3aS,6R,6aR,9S,9aR,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione|10alpha-hydroxy-3-oxo-1,5,7alphaH,4,6,11betaH-guaian-6,12-olide|3-Hydroxyimino-dihydro-isophoto-alpha-santonic lacton|4alpha-methyl-dihydroisophoto-alpha-santonin lactone|dihydroisophotosantonin lactone|Dihydroisophotosantoninlacton
(11Xi)-1,6beta-dihydroxy-4-oxo-10alphaH-ambrosan-12-oic acid-6-lactone|(11Xi)-1,6beta-Dihydroxy-4-oxo-10alphaH-ambrosan-12-saeure-6-lacton|dihydrocoronopilin|tetrahydroparthenin
5-hydroxy-2,2,6,6-tetramethyl-4-(2-methylbutanoyl)cyclohex-4-ene-1,3-dione
2-heptyl-3,6-dihydroxy-4-methoxybenzaldehyde|fordianol
(1R,4S,5R,7R,8R,10S)-1,5-dihydroxyeudesma-11(13)-en-12,8-olide
botryosphaerin C|rel-(1S,4aR,5S,8aR)-decahydro-5-(2-hydroxyethyl)-1,4a-dimethyl-6-methylidenenaphthalene-1-carboxylic acid
Isobutyric acid 2-(1-methyl-1-methoxy-2-hydroxyethyl)-5-methylphenyl ester
methyl-(+)-(trans)-10-hydroxy-6,11-cyclofarnes-7(14)-oate
botryosphaerin D|rel-[(1S,4aR,5S,8aR)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenenaphthalen-1-yl]acetic acid
Methylzedoarondiol
(3S,3aS,8R,8aR)-3-hydroxy-8-methoxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one is a natural product found in Curcuma aromatica with data available.
C12-AS (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from ZWI_N: mz265_15_rt18_47_HCD60_C12-AS; CONFIDENCE Tentative identification: best match only (Level 3)
C16H26O3_1-Propanone, 3-hydroxy-1-[(1R,2R,4aR,6S,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2-hydroxy-1,2,6-trimethyl-1-naphthalenyl]
desipramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 2; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
Tri-N-butyl phosphate
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; STCOOQWBFONSKY-UHFFFAOYSA-N_STSL_0219_Tri-N-butyl phosphate_0002fmol_190326_S2_LC02MS02_076; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
tetranor-12-HETE
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0069.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0069.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0069.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001351.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001351.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001351.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001351.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001351.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001351.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
CYCLIZINE
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
(1R,2R)-3-oxo-2-(2Z-pentenyl)cyclopentanehexanoic acid
(1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentanehexanoic acid
4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one
1,4-Dihydroxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one
3a,8-Dihydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
FA 16:3;O
juvenile hormone III
A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid. Juvenile hormone III is found in most insect species.
2,5,8,11,14,17-Hexaoxaoctadecane
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3- cyclohexene-1-carboxylic acid methyl ester
2-[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane
2-Benzyl-2,7-diazaspiro[4.5]decane hydrochloride (1:1)
1-[(2,4,6-Trimethoxyphenyl)methyl]piperazine dihydrochloride
(E)-but-2-enedioic acid,(4E)-octa-1,4,7-triene,prop-1-ene
1-(1-Ethoxyethyl)-1H-pyrazole-4-boronic acid pinacol ester
3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine
1-(DIPHENYLMETHYL)-3-METHYL-3-AZETIDINEMETHANAMINE
1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amine
[2-amino-2-(3-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate
(R)-(+)-Atenolol
(R)-(+)-Atenolol is the less active enantiomer of the (R,S)-atenolol. (R,S)-atenolol is a β-adrenergic receptor antagonist[1][2].
3-AMINO-3-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-PROPIONIC ACID
TERT-BUTYLDIMETHYL((4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ETHYNYL)SILANE
TERT-BUTYL 4-(5-AMINO-1H-PYRAZOL-3-YL)PIPERIDINE-1-CARBOXYLATE
esatenolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
[2-amino-2-(2-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester hydrochloride
2-[(1R,2R,3S,4R)-2-Formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]acryl ic acid
methyl (E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]pent-2-enoate
[1-(2-Hydroxy-2-Methyl-propyl)pyrazol-4-yl]boronic acid pinacol ester
Benzenamine, N-4-(1,3-dimethylbutyl)imino-2,5-cyclohexadien-1-ylidene-
TERT-BUTYL 2-(AMINOMETHYL)-4-METHOXYBENZYLCARBAMATE
1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester
(S)-1-(3-(Ethyl(methyl)carbamoyloxy)phenyl)-N,N-dimethylethanamine oxide
7-(3-hydroxy-5-oxo-1-cyclopenten-1-yl)-(5Z)--Heptenoic acid-1-Methylethyl ester
8-(2-furanyl)-8-hydroxy-(5Z) -Octenoic acid-1-Methylethyl ester
(4-((4-ethylpiperazin-1-yl)Methyl)-2-fluorophenyl)boronic acid
methyl (2R,3S)-2-ethyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
methyl (2S,3S)-2-ethyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
4,4,5,5-TETRAMETHYL-2-(1,4-DIOXASPIRO[4.5]DEC-7-EN-7-YL)-1,3,2-DIOXABOROLANE
1-(3-METHOXYPROPYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1-(4-METHOXY-PHENOXY)-3-PIPERAZIN-1-YL-PROPAN-2-OL
2-(1,4,5,7-Tetramethyl-pyrrolo[3,4-d]pyridazin-6-yl)-phenylamine
(1S,5R,6S,7S,8S,10R,11R)-6-hydroxy-4-oxopseudoguai-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis
4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-1-ethyl-6-methyl-4-oxo-, ethyl ester
OPC-4:0
(9r,13r)-1a,1b-dihomo-jasmonic acid is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. Thus, (9r,13r)-1a,1b-dihomo-jasmonic acid is considered to be an octadecanoid lipid molecule (9r,13r)-1a,1b-dihomo-jasmonic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9r,13r)-1a,1b-dihomo-jasmonic acid can be found in common wheat, corn, eggplant, and flaxseed, which makes (9r,13r)-1a,1b-dihomo-jasmonic acid a potential biomarker for the consumption of these food products.
practolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Same as: D05587 Practolol is a potent and selective β1-adrenergic receptor antagonist. Practolol can be used for the research of cardiac arrhythmias[1][2][3].
Bucolome
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(2R,3R,4S,5R)-2-({[(1R)-2-Hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
(1S,2S,3S)-3-methoxy-2-[(2E)-6-methylhept-2-en-2-yl]-4-oxocyclohexanecarbaldehyde
hydron;3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine
(7R)-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5R)-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,8S)-8-methyl-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(4S,7R)-4-methyl-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
(4E,6Z,8S,10Z)-8-Hydroxyhexadeca-4,6,10-trienoic acid
3-Methyl-4-[(4-methyl[2,2-bipyridin]-4-yl)imino]but-2-en-2-amine
(Z)-3-[[2-(4-methylpyridin-2-yl)pyridin-4-yl]methylideneamino]but-2-en-2-amine
2-[2-[2-[2-(Trimethylsilyloxy)ethoxy]ethoxy]ethoxy]ethanol
2-(Trimethylsilylmethyl)benzyl trimethylsilyl ether
(1R,4abeta,8abeta)-Octahydro-1,4a-dimethyl-7-(1-methoxycarbonylethyl)naphthalen-2(3H)-one
(4E,6E,10Z)-8-Hydroxy-4,6,10-hexadecatrienoic acid
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
A C16 polyunsaturated fatty acid that is the (10R,11S)-epoxy derivative of trideca-2,6-dienoic acid.
Tributyl phosphate
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
Tetranor-12R-HETE
A polyunsaturated fatty acid that consists of 4Z,6E,10Z-hexadecatrienoic acid bearing an additional 8R-hydroxy substituent.
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
methyl (4as,5r,8s,8ar)-8-hydroxy-8-isopropyl-5-methyl-4,4a,5,6,7,8a-hexahydro-3h-naphthalene-2-carboxylate
3a-methoxy-4a,5-dimethyl-3-methylidene-octahydro-2h-naphtho[2,3-b]furan-4-ol
methyl 4-(6-methyl-4-oxoheptan-2-yl)cyclohex-1-ene-1-carboxylate
[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
ethyl (2e,4e,8e)-13-hydroxytetradeca-2,4,8-trienoate
(7s,8e,10z,13z)-7-hydroxyhexadeca-8,10,13-trienoic acid
5-(2-hydroxyethyl)-1,2,4,6-tetramethyl-3h-indene-1,2,7-triol
13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecan-9-ol
methyl 7-(5,5-dimethyloxolan-2-yl)-3-methylocta-2,6-dienoate
5,8-dimethyl-1-methylidene-2h,4h,5h,5ah,6h,9h,9ah-naphtho[2,1-b]furan-3a,9,9b-triol
2-[(1r,2r,5s,6r)-5-hydroxy-5-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-6-methylhept-1-ene-3,4-dione
4,5-dihydroxy-1-(hydroxymethyl)-1,7,7a-trimethyl-1ah,4h,5h,6h,7h,7bh-cyclopropa[a]naphthalen-2-one
(1s,2z,4s,7r,8s,11s,12r)-12-hydroxy-2,7,11-trimethyl-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-6-one
4,5-dihydroxy-6,6,9a-trimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one
methyl 2,2,8-trimethyl-9-oxo-octahydro-1h-cyclopenta[8]annulene-4-carboxylate
3-hydroxy-3,4a,8-trimethyl-octahydroazuleno[6,5-b]furan-2,5-dione
(3s,3ar,5ar,6r,8s,9bs)-6,8-dihydroxy-3,5a,9-trimethyl-3h,3ah,4h,5h,6h,7h,8h,9bh-naphtho[1,2-b]furan-2-one
(3ar,4as,5s,7as,8s,9ar)-5-hydroxy-4a-(hydroxymethyl)-8-methyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one
(1r,2r,5r,6r,9r)-2-(hydroxymethyl)-11,11-dimethyl-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid
6-hydroxy-3,5a-dimethyl-2-oxo-decahydronaphtho[1,2-b]furan-9-carbaldehyde
(2z,4e)-5-[(1r,3s)-1,3-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid
7-hydroxy-3a,6,6,9a-tetramethyl-octahydronaphtho[2,1-b]furan-2-one
methyl 4-(6-hydroxy-6-methylhept-4-en-2-yl)cyclohex-1-ene-1-carboxylate
(2r)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl 2-methylpropanoate
(2r,3ar,7ar)-3,4-dihydroxy-7,7a-dimethyl-4'-methylidene-hexahydro-1h-spiro[indene-2,3'-oxolan]-2'-one
(3r,3ar,4s,5ar,6r,9as,9br)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-octahydro-3h-naphtho[1,2-b]furan-2-one
(1r,2s,3r,4s,8r,10r,13r)-2-hydroxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradecan-12-one
(4s,4ar,7as,8s)-4,8-dihydroxy-6,6,8-trimethyl-3h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-1-one
(2e,4s)-4-hydroxy-2-methyl-5-[(1r,3s,6r,9s)-6-methyl-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]pent-2-enoic acid
6-hydroxy-9-(hydroxymethyl)-5a-methyl-3-methylidene-octahydro-3ah-naphtho[1,2-b]furan-2-one
2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)propan-1-one
(5ar,7s,9as,9bs)-7,9b-dihydroxy-6,6,9a-trimethyl-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one
(2e,4s)-4-hydroxy-2-methyl-5-[(1r,3s,6r,9r)-6-methyl-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]pent-2-enoic acid
(2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-7-ethyl-3-methylnona-2,6-dienoic acid
1-[(1s,2s,4ar,6r,8as)-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-2,3-dihydroxypropan-1-one
4-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(1s,2s,4r,7e,9s,11s,12s)-9-hydroxy-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-13-one
(3as,5ar,6r,8s,9r,9as,9bs)-6,8-dihydroxy-5a,9-dimethyl-3-methylidene-octahydro-3ah-naphtho[1,2-b]furan-2-one
[(1r,7r,8r,9s,11r)-11-methoxy-5,5,8-trimethyl-10-oxatricyclo[7.2.1.0³,⁷]dodec-2-en-2-yl]methanol
1-hydroxy-4-methoxy-1,4-dimethyl-7-(propan-2-ylidene)-hexahydroazulen-6-one
[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]acetic acid
[(1s,7r,8s,9r)-9-methoxy-5,5,8-trimethyl-10-oxatricyclo[7.2.1.0³,⁷]dodec-2-en-2-yl]methanol
(1r,12s,16r)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.0²,¹⁰.0³,⁸]hexadeca-2(10),3,5,7-tetraene
4-hydroxy-5-methylidene-3-undecylideneoxolan-2-one
methyl (2e,6e)-9-[(2s)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
methyl (4r)-4-[(2r)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-1-ene-1-carboxylate
3-methoxy-6,8,8-trimethyl-1h,3h,3ah,4h,5h,6h,6ah,7h,9h-azuleno[4,5-c]furan-5-ol
(1s,2r,3as,7s,9s,9as,9br)-2-methoxy-1,9,9a-trimethyl-1h,2h,3ah,4h,5h,7h,8h,9h,9bh-naphtho[2,1-b]furan-7-ol
6-[3-oxo-2-(pent-2-en-1-yl)cyclopentyl]hexanoic acid
1-[(1s,2s,4ar,6s,8as)-6-(hydroxymethyl)-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-hydroxypropan-1-one
(10r)-hydroxyhexadeca-7z,11e,13z-trienoicacid
{"Ingredient_id": "HBIN000197","Ingredient_name": "(10r)-hydroxyhexadeca-7z,11e,13z-trienoicacid","Alias": "NA","Ingredient_formula": "C16H26O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15846","TCMID_id": "10160","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methoxy-3-nonylresorcinol
{"Ingredient_id": "HBIN005880","Ingredient_name": "2-methoxy-3-nonylresorcinol","Alias": "NA","Ingredient_formula": "C16H26O3","Ingredient_Smile": "CCCCCCCCCC1=CC(=CC(=C1OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14035","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,10-dihydroxy-7(11)-guaien-8-one; (1α,4β,5β,10β)-form,10-me ether
{"Ingredient_id": "HBIN009790","Ingredient_name": "4,10-dihydroxy-7(11)-guaien-8-one; (1\u03b1,4\u03b2,5\u03b2,10\u03b2)-form,10-me ether","Alias": "NA","Ingredient_formula": "C16H26O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7954","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-7,8-dime thyl-2-(1-methylethyl)phenanthren-3-ol
{"Ingredient_id": "HBIN013938","Ingredient_name": "9,10-dihydro-7,8-dime thyl-2-(1-methylethyl)phenanthren-3-ol","Alias": "NA","Ingredient_formula": "C19H22O","Ingredient_Smile": "CC1=C(C2=C(C=C1)C3=CC(=C(C=C3CC2)C(C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5602","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol a
{"Ingredient_id": "HBIN018584","Ingredient_name": "bisaborosaol a","Alias": "AC1L50NJ; methyl(4r)-4-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-1-ene-1-carboxylate; methyl (4R)-4-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carboxylate; CTK4C0082; 135970-39-7; methyl (4R)-4-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-1-ene-1-carboxylate; Bisaborosaol A","Ingredient_formula": "C16H26O3","Ingredient_Smile": "CC(=CCCC(C)(C1CCC(=CC1)C(=O)OC)O)C","Ingredient_weight": "266.38 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14478","TCMID_id": "2417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "195819","DrugBank_id": "NA"}
